7213-0323 Screening compound: 4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(1H-indol-3-yl)ethyl]butanamide

7213-0323 Screening compound: 4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(1H-indol-3-yl)ethyl]butanamide
7213-0323 Screening compound: 4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(1H-indol-3-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0323
4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(1H-indol-3-yl)ethyl]butanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

7213-0323

Molecular Formula

C23H21F3N4O2S (C23 H21 F3 N4 O2 S)

Compound Name

4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(1H-indol-3-yl)ethyl]butanamide

IUPAC name

4-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(1H-indol-3-yl)ethyl]butanamide

SMILES

O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C23H21F3N4O2S/c24-23(25,26)20-13-18(19-7-3-11-32-19)29-22(30-20)33-12-4-8-21(31)27-10-9-15-14-28-17-6-2-1-5-16(15)17/h1-3,5-7,11,13-14,28H,4,8-10,12H2,(H,27,31)

InChI Key

QGYYYWXIGKCTJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.24

Polar Surface Area

59.751

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

7213-0323 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7213-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0323?
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What is the minimum amount of 7213-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0323
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 7213-0323 available by request